1-Aralkylated Tetrahydro-2-benzazepines. Part III. Synthesis from β-tetralones

1-Benzyl-tetrahydro-2-benzazepin-3-ones 4 were prepared by submitting the corresponding 1-benzyl-β-tetralones 3 to the Schmidt reaction. On the other hand, the rearrangement of the tetralones 3 by the Beckmann procedure gave 1-benzyl-tetrahydro-3-benzazepin-2-ones 5 . The syntheses of some hexahydrophenanthro-azepines of types 10 and 15 are also described.     

Quasiclassical dynamics simulation of the collision-induced dissociation of Cr(CO)6 + with Xe

Quasiclassical trajectory calculations are employed to investigate the dynamics of collision-induced dissociation (CID) of Cr(CO)6 + with Xe atoms at collision energies ranging from 1.3 to 5.0 eV. The trajectory simulations show that direct elimination of CO ligands, during the collision, becomes increasingly important as the collision energy increases. In a significant number of cases, this shattering mechanism is accompanied with a concomitant formation of a transient Xe-Cr(CO)x +(x<6) complex. The calculated results are in very good agreement with the experimental results presented previously [F. Muntean and P. B. Armentrout, J. Chem. Phys. 115, 1213 (2001)]. In particular, the computed cross sections and scattering maps for the product ions Cr(CO)x +(x=3-5) compare very favorably with the reported experimental data. However, in contrast with the conclusions of the previous study, the present calculations suggest that CID dynamics for this system exhibits a significant impulsive character rather than proceeding via a complex surviving more than a rotational period.     

79Se investigated by the reaction76Ge(α, nγ)

⁷⁹Se has been investigated by the reaction⁷⁶Ge(α, nγ). Gamma excitation functions (E _{α=10?15 MeV)}, gamma angular distributions and gamma-gamma coincidences (both at (E _{α=12 MeV)}, have been taken. A level scheme has been established, spins and partities have been assigned. The results are compared with rotational bands in neighbouring odd Se isotopes. Nuclear reaction⁷⁶Ge(α, nγ)E _α =12 MeV; measuredE _γ,I _γ,γ-γ coincidences,γ-angular distribution,γ-excitation function.⁷⁹Se deduced levels,J, π. Enriched target, Ge(Li).     

Influence of exchange fields in hybrid pairing superconductors II. Selfconsistent ground states

A previously investigated model of a two band superconductor with hybrid pairing and molecular fields is enlarged by exchange interactions generating those fields. The fields are calculated selfconsistently in molecular field approximation at zero temperature. They turn out to stabilise the previously found new state of gapless superconductivity and non vanishing spin polarization for a wide range of exchange couplings, in particular for zero external field.Dedicated to B. Mühlschlegel on the occasion of his 60th birthdayWork performed within the research program of Sonderforschungsbereich 125 Aachen-Jülich-Köln     

Dynamics of long-living excitons in tunable potential landscapes

A novel method to experimentally study the dynamics of long-living excitons in coupled quantum well semiconductor heterostructures is presented. Lithographically defined top gate electrodes imprint in-plane artificial potential landscapes for excitons via the quantum confined Stark effect. Excitons are shuttled laterally in a time-dependent potential landscape defined by an interdigitated gate structure. Long-range drift exceeding a distance of at an exciton drift velocity is observed in a gradient potential formed by a resistive gate stripe.     

Symmetries in the representation of grain boundary-plane distributions

Symmetries play a crucial role in the theoretical analysis and visualization of the five macroscopic grain boundary parameters, including the misorientation (three parameters) and the orientation of the boundary-plane (two parameters). The symmetry aspects of the misorientation spaces are very well documented and in this article all possible boundary-plane symmetries are enumerated for the 32 crystallographic point groups. It is observed that the boundary-plane spaces exhibit a wide variety of point group symmetries, which depend both on the crystallographic point group and on the corresponding misorientation (i.e. location in the fundamental zone). The list of symmetries presented here should serve as a guide for graphical representations of not only the distributions of boundary-plane orientations but also for the representation of boundary-plane related properties such as energy, mobility etc.     

Interference of ballistic electrons in an open quantum dot at high temperatures

The Aharonov-Bohm-type oscillations in the ballistic magnetoconductivity of an open quantum dot ～1 μm in size created in the GaAs/AlGaAs heterostructure by local anode oxidation have been studied. The measurements have been performed at temperatures of 4.2 and 1.5 K, which are high enough to expect a considerable suppression of the oscillations with period h/e (in magnetic flux units). The magnetoconductivity oscillations with a period less than the quantum h/e with respect to the magnetic field are observed at 1.5 K. The explanation is proposed on the basis of the interference of the electrons moving along the time-reversed paths inscribed into the quantum dot that have their initial and final points at one of the contacts, i.e., corresponding to a period of h/2e.     

Purity determination of a new antifungal drug candidate using quantitative 1H NMR spectroscopy: Method validation and comparison of calibration approaches

Quantitative nuclear magnetic resonance (qNMR) is an analytical technique that offers numerous advantages in pharmaceutical applications including minimum sample preparation and rapid data collection times with no need for response factor corrections, being a powerful tool for assaying drug content in both drug discovery and early drug development. In the present work, we have applied qNMR, using both the internal standard and the electronic reference to access in vivo concentrations 2 calibration methods, to assess the purity of RI76, a novel antifungal drug candidate. NMR acquisition and processing parameters were optimized in order to obtain spectra with intense, well-resolved signals of completely relaxed nuclei. The analytical method was validated following current guidelines, demonstrating selectivity, linearity, accuracy, precision, and robustness. The calibration approaches were statistically compared, and no significant difference was observed when comparing the obtained results and their dispersion in terms of relative standard deviation. The proposed qNMR method may, therefore, be used for both qualitative and quantitative assessments of RI76 in early drug development and for characterization of this compound.